A0A087YIX6_POEFO Loading...

OCIA domain containing 2

AlphaFold DB , UniProt , Accession A0A087YIX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low33.1Very low251 Ų251129.1 Ų129.1100%1.23683%0.826SS**  0131.50-65.3162.6162.800107
2S36.3Very low32.9Very low120 Ų120133.7 Ų133.784%0.83982%0.824SS**  trans-67.3166.8-160.7-870000118.4
3S34.7Very low32.8Very low127 Ų127133.7 Ų133.789%0.88882%0.824SS**  trans90125.4153.7-63.10000116.4
4G33.3Very low32.4Very low73 Ų73129 Ų12975%0.75382%0.815SS**  cis144.4124.34.700000110.2
5S35.6Very low32Very low134 Ų134133.1 Ų133.194%0.93782%0.82SS**  trans56.8116.4158.1-142.40000119.1
6G34.9Very low32.3Very low74 Ų74133 Ų13376%0.76382%0.819SS**  119.5149.574.300000106.8
7E38Very low32.7Very low174 Ų174132.3 Ų132.381%0.81382%0.817SS**  cis-168.7141.25-176.4175.683.300107.7
8T29.8Very low32.3Very low110 Ų110130.5 Ų130.568%0.67582%0.818SS**  trans56.5113.6154.257.20000121.7
9T29.1Very low32.4Very low117 Ų117128.7 Ų128.772%0.71882%0.816SS**  81.3100.663.5-60.80000111.9
10T27.9Very low32.5Very low121 Ų121128.3 Ų128.374%0.74282%0.815SS**  62.6127.4101-9.50000112.4
11V28.9Very low32.2Very low119 Ų119129.7 Ų129.772%0.72182%0.816SS**  174.6119.575173.40000105.3
12K30.6Very low32.3Very low184 Ų184122.7 Ų122.780%0.879%0.792SS**  57.2116.695.7-167.9177176.4172.60116.7
13T32.5Very low32.1Very low134 Ų134121.5 Ų121.582%0.82279%0.79SS**  trans39.9133.4140-52.70000120.9
14G26.6Very low32.5Very low68 Ų68121.2 Ų121.270%0.70179%0.785SS**  trans152.7134.8143.600000115
15E27.3Very low32.3Very low190 Ų190122.6 Ų122.689%0.88879%0.789SS**  trans-63.7149.2-179.2-74.7147.966.100116
16T35.9Very low32.2Very low132 Ų132125.5 Ų125.581%0.8178%0.784SS**  trans-12135.9149.5-610000116.6
17P40Very low32.6Very low121 Ų121132 Ų13279%0.78680%0.795SS**  -155.315781.537.9-16.8000118.1
18A24.4Very low32.6Very low100 Ų100126.3 Ų126.383%0.82678%0.783SS**  trans154.1120.1131.400000113.3
19A33.7Very low33Very low96 Ų96129.8 Ų129.879%0.79378%0.784SS**  trans-86156.2147.400000108.1
20P35.5Very low33.3Very low121 Ų121133.2 Ų133.279%0.78679%0.789SS**  -140.8165.173.630.9-9000111.7
21D26.6Very low33.6Very low157 Ų157132 Ų13284%0.8478%0.784SS**  179.2153.273.2-175.8-129.5000109.2
22S35.8Very low34.8Very low105 Ų105132.5 Ų132.573%0.73479%0.79SS**  trans-95.6160.5-174.9-62.10000112.7
23A33.7Very low35.5Very low95 Ų95131.8 Ų131.879%0.78579%0.794SS**  trans121.2158.9152.100000115.7
24P42.1Very low36Very low121 Ų121129.6 Ų129.679%0.78678%0.784SS**  -117.3124.3-110.925.2-3.5000113K26P24-K26 PolarHBondContact O-N 2.98Å
25A30.3Very low37Very low101 Ų101131.6 Ų131.684%0.83578%0.779SS**  trans-9795.4179.700000112.2
26K31.5Very low38.2Very low195 Ų195127.1 Ų127.185%0.84877%0.774SS**  trans41.6100.9143.1-52.4-65.2-178.3177.60117.2P24 G28P24-K26 PolarHBondContact O-N 2.98Å; K26-G28 PolarHBondContact O-N 3.31Å
27Q45.2Very low38.5Very low212 Ų212127.6 Ų127.699%0.99177%0.767SS**  trans-65.796.3165.5-62.2175.92300110.1
28G36.8Very low38.7Very low54 Ų54124.5 Ų124.556%0.55775%0.746SS**  trans-95.6124.6166.600000109.8K26 K30K26-G28 PolarHBondContact O-N 3.31Å; G28-K30 PolarHBondContact O-N 3.19Å
29W37.9Very low40Very low182 Ų182124.2 Ų124.269%0.68973%0.727SS**  trans-54.2114178.5-139.7-72.7000111H143W29-H143 AromaticContact CH2-ND1 3.81Å; W29-H143 AromaticContact CZ2-CE1 3.54Å; W29-H143 AromaticContact CZ2-ND1 3.16Å; W29-H143 WeakPolarHBondContact CZ2-ND1 3.16Å
30K36.4Very low40.8Very low189 Ų189128.1 Ų128.182%0.82272%0.721SS**  trans-98.4125.1168.8-81110179.7-79.40109.5G28G28-K30 PolarHBondContact O-N 3.19Å
31C34.6Very low41.6Very low96 Ų96126 Ų12665%0.64970%0.701SS**  trans-68.1140.7174-66.60000110.4L33C31-L33 PolarHBondContact O-N 3.04Å
32P52.3Low42.8Very low130 Ų130122.4 Ų122.484%0.84468%0.682SS**THydrogen-bonded Turntrans-8134.4-17534.2-35.8000113.7
33L46.8Very low43.6Very low168 Ų168120.2 Ų120.288%0.8866%0.664SS**THydrogen-bonded Turntrans-116.318.9173.8-143.778000113.1C31C31-L33 PolarHBondContact O-N 3.04Å
34S43Very low44.7Very low89 Ų89122.1 Ų122.162%0.62265%0.651SS**SBendtrans-105.65.9170.1-74.10000113.6A36 V38S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 2.9Å; S34-V38 WeakPolarHBondContact O-CG2 3Å
35D48.1Very low45.4Very low110 Ų110122.9 Ų122.959%0.58864%0.642SS**Hα-helixtrans-82.3-11.3-174.9-144.8-106.1000113.8
36A50.5Low46.5Very low96 Ų96121.2 Ų121.279%0.79362%0.621SS**Hα-helixtrans-80.1-23.9176.600000113.5S34S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 2.9Å
37H43.8Very low47.6Very low141 Ų141119 Ų11965%0.65361%0.607SS**Hα-helixtrans-85.1-42.7179-154.2-62.1000110.7H39 R40 E41H37-H39 PolarHBondContact O-N 3.48Å; H37-R40 PolarHBondContact O-N 2.99Å; H37-R40 VanDerWaalsContact O-N 3.14Å; H37-E41 IonicContact CE1-OE1 2.73Å; H37-E41 IonicContact CE1-OE2 3.8Å; H37-E41 IonicContact CG-OE1 3.45Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 PolarHBondContact ND1-OE1 3.43Å; H37-E41 IonicContact ND1-OE2 2.83Å; H37-E41 PolarHBondContact ND1-OE2 3.49Å
38V43.8Very low48.1Very low56 Ų56115.9 Ų115.934%0.33959%0.59SS.*Hα-helixtrans-56.6-33.8179.7168.90000112.4S34 R40 E41 D42S34-V38 WeakPolarHBondContact O-CG2 3Å; V38-R40 PolarHBondContact O-N 3.31Å; V38-R40 VanDerWaalsContact O-N 3.11Å; V38-E41 WeakPolarHBondContact CA-OE1 3.33Å; V38-E41 PolarHBondContact N-OE1 3.38Å; V38-E41 WeakPolarHBondContact O-CG 3.32Å; V38-E41 PolarHBondContact O-N 3.37Å; V38-D42 WeakPolarHBondContact CG1-OD2 3.37Å; V38-D42 WeakPolarHBondContact O-CB 3.1Å; V38-D42 PolarHBondContact O-N 3.05Å
39H51.1Low48.8Very low94 Ų94118.8 Ų118.844%0.43559%0.589SS.*Hα-helixtrans-63.3-22.1-179.3-141.1-69.3000114.4H37 V43H37-H39 PolarHBondContact O-N 3.48Å; H39-V43 WeakPolarHBondContact O-CB 3.39Å; H39-V43 WeakPolarHBondContact O-CG2 3.14Å; H39-V43 PolarHBondContact O-N 3.03Å
40R51.1Low49.6Very low179 Ų179111.2 Ų111.268%0.67556%0.564SS**Hα-helixtrans-89.1-35.3179.2-168.7178.8164.5143.9-2.6112.8H37 V38 R44H37-R40 PolarHBondContact O-N 2.99Å; H37-R40 VanDerWaalsContact O-N 3.14Å; V38-R40 PolarHBondContact O-N 3.31Å; V38-R40 VanDerWaalsContact O-N 3.11Å; R40-R44 VanDerWaalsContact O-CB 3.31Å; R40-R44 WeakPolarHBondContact O-CB 3.42Å; R40-R44 PolarHBondContact O-N 3.25Å; R40-R44 VanDerWaalsContact O-N 3.16Å
41E51.8Low50.3Low77 Ų77107.7 Ų107.736%0.3655%0.55SS.*Hα-helixtrans-72.8-39.5173.229.9-89.2-177.300111.6H37 V38 R44 K45H37-E41 IonicContact CE1-OE1 2.73Å; H37-E41 IonicContact CE1-OE2 3.8Å; H37-E41 IonicContact CG-OE1 3.45Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 PolarHBondContact ND1-OE1 3.43Å; H37-E41 IonicContact ND1-OE2 2.83Å; H37-E41 PolarHBondContact ND1-OE2 3.49Å; V38-E41 WeakPolarHBondContact CA-OE1 3.33Å; V38-E41 PolarHBondContact N-OE1 3.38Å; V38-E41 WeakPolarHBondContact O-CG 3.32Å; V38-E41 PolarHBondContact O-N 3.37Å; E41-R44 CarbonylContact O-C 3.5Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-K45 WeakPolarHBondContact O-CB 3.27Å; E41-K45 PolarHBondContact O-N 2.87Å
42D51.6Low51Low80 Ų80110.2 Ų110.243%0.42855%0.553SS.*Hα-helixtrans-70.1-39.9177.6-70.9-25.3000111.9V38 R44 K45 V46V38-D42 WeakPolarHBondContact CG1-OD2 3.37Å; V38-D42 WeakPolarHBondContact O-CB 3.1Å; V38-D42 PolarHBondContact O-N 3.05Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.91Å; D42-K45 PolarHBondContact O-N 3.35Å; D42-V46 WeakPolarHBondContact O-CB 3.46Å; D42-V46 VanDerWaalsContact O-CG2 3.28Å; D42-V46 WeakPolarHBondContact O-CG2 3.24Å; D42-V46 PolarHBondContact O-N 3.47Å
43V53.6Low50.7Low59 Ų59111 Ų11136%0.35855%0.545SS..Hα-helixtrans-59.8-39.5170.41680000111.2H39 W47 F114H39-V43 WeakPolarHBondContact O-CB 3.39Å; H39-V43 WeakPolarHBondContact O-CG2 3.14Å; H39-V43 PolarHBondContact O-N 3.03Å; V43-W47 WeakPolarHBondContact O-CB 3.29Å; V43-W47 PolarHBondContact O-N 3.37Å; V43-F114 HydrophobicContact CG2-CE1 4.5Å
44R56.6Low50.6Low136 Ų136104.4 Ų104.451%0.51351%0.513SS..Hα-helixtrans-72-32.2178.1-175.1-178.3-73.5156.7-10.6112.6R40 E41 D42 K48R40-R44 VanDerWaalsContact O-CB 3.31Å; R40-R44 WeakPolarHBondContact O-CB 3.42Å; R40-R44 PolarHBondContact O-N 3.25Å; R40-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 CarbonylContact O-C 3.5Å; E41-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.91Å; R44-K48 PolarHBondContact O-N 2.94Å
45K56.6Low50.7Low137 Ų137106.5 Ų106.560%0.59651%0.511SS*.Hα-helixtrans-75.7-46.7-179.7-157.4177.7-175.3-169.50110.8E41 D42 W47 K48 E49E41-K45 WeakPolarHBondContact O-CB 3.27Å; E41-K45 PolarHBondContact O-N 2.87Å; D42-K45 PolarHBondContact O-N 3.35Å; K45-W47 VanDerWaalsContact C-N 3.25Å; K45-W47 PolarHBondContact O-N 3.38Å; K45-K48 WeakPolarHBondContact O-CB 3.43Å; K45-K48 PolarHBondContact O-N 2.82Å; K45-E49 PolarHBondContact O-N 3.47Å
46V54.2Low50.4Low66 Ų66110 Ų11040%0.452%0.516SS..Hα-helixtrans-69.2-27174.5-174.60000110.6D42 K48 E49 C50 F114D42-V46 WeakPolarHBondContact O-CB 3.46Å; D42-V46 VanDerWaalsContact O-CG2 3.28Å; D42-V46 WeakPolarHBondContact O-CG2 3.24Å; D42-V46 PolarHBondContact O-N 3.47Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.48Å; V46-E49 PolarHBondContact O-N 3.41Å; V46-C50 WeakPolarHBondContact O-CB 3.39Å; V46-C50 PolarHBondContact O-N 2.82Å; V46-F114 VanDerWaalsContact C-CZ 3.5Å; V46-F114 HydrophobicContact CB-CE1 3.44Å; V46-F114 VanDerWaalsContact CB-CE1 3.44Å; V46-F114 HydrophobicContact CB-CE2 4.15Å; V46-F114 HydrophobicContact CB-CZ 3.18Å; V46-F114 HydrophobicContact CG1-CD1 4.39Å; V46-F114 HydrophobicContact CG1-CD2 4.4Å; V46-F114 HydrophobicContact CG1-CE1 3.47Å; V46-F114 VanDerWaalsContact CG1-CE1 3.47Å; V46-F114 HydrophobicContact CG1-CE2 3.49Å; V46-F114 VanDerWaalsContact CG1-CE2 3.49Å; V46-F114 HydrophobicContact CG1-CZ 3Å; V46-F114 HydrophobicContact CG2-CE1 4.32Å; V46-F114 HydrophobicContact CG2-CZ 4.44Å
47W53.9Low50.1Low149 Ų149115.2 Ų115.256%0.56452%0.517SS*.Hα-helixtrans-62.7-36.6169.8-177.9-77.4000112V43 K45 Q51 I107V43-W47 WeakPolarHBondContact O-CB 3.29Å; V43-W47 PolarHBondContact O-N 3.37Å; K45-W47 VanDerWaalsContact C-N 3.25Å; K45-W47 PolarHBondContact O-N 3.38Å; W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.41Å; W47-I107 HydrophobicContact CH2-CG2 4.38Å
48K55.9Low50.4Low145 Ų145118 Ų11863%0.6352%0.522SS*.Hα-helixtrans-74-40.8175.6-74-177175.5-176.80111.9R44 K45 V46 Q51 E52R44-K48 PolarHBondContact O-N 2.94Å; K45-K48 WeakPolarHBondContact O-CB 3.43Å; K45-K48 PolarHBondContact O-N 2.82Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.48Å; K48-Q51 WeakPolarHBondContact O-CB 3.47Å; K48-Q51 PolarHBondContact O-N 2.81Å; K48-Q51 VanDerWaalsContact O-N 3.09Å; K48-E52 PolarHBondContact O-N 2.9Å
49E52.1Low50.6Low115 Ų115116.7 Ų116.754%0.53752%0.517SS..Hα-helixtrans-69.3-34.7175.7-66.6-155.7172.900112.9K45 V46 Q51 E52 E53K45-E49 PolarHBondContact O-N 3.47Å; V46-E49 PolarHBondContact O-N 3.41Å; E49-Q51 PolarHBondContact O-N 2.85Å; E49-E52 PolarHBondContact O-N 2.64Å; E49-E53 PolarHBondContact O-N 2.82Å
50C53.5Low50.5Low24 Ų24115.3 Ų115.316%0.16251%0.512CS..Hα-helixtrans-70.4-9.6170.8-166.60000113.1V46 S54 C110V46-C50 WeakPolarHBondContact O-CB 3.39Å; V46-C50 PolarHBondContact O-N 2.82Å; C50-S54 WeakPolarHBondContact O-CB 3.44Å; C50-C110 WeakPolarHBondContact CB-SG 3.31Å; C50-C110 WeakPolarHBondContact SG-CB 3.35Å; C50-C110 CovalentContact SG-SG 2.05Å; C50-C110 PolarHBondContact SG-SG 2.89Å
51Q50.8Low50.4Low114 Ų114111 Ų11153%0.53351%0.507SS..Hα-helixtrans-85.3-29.3165.6-78.5-69-81.700112.1W47 K48 E49W47-Q51 WeakPolarHBondContact O-CG 3.4Å; W47-Q51 PolarHBondContact O-N 3.41Å; K48-Q51 WeakPolarHBondContact O-CB 3.47Å; K48-Q51 PolarHBondContact O-N 2.81Å; K48-Q51 VanDerWaalsContact O-N 3.09Å; E49-Q51 PolarHBondContact O-N 2.85Å
52E50.9Low50.3Low149 Ų149113.3 Ų113.370%0.69652%0.522SS*.Hα-helixtrans-91.4-45.5-170.5-160.4153.887.600112.5K48 E49K48-E52 PolarHBondContact O-N 2.9Å; E49-E52 PolarHBondContact O-N 2.64Å
53E45.4Very low50.3Low146 Ų146112.2 Ų112.268%0.68252%0.52SS*.SBendtrans-76.1-29.1-177.4-75.4-69.8113.700113.8E49E49-E53 PolarHBondContact O-N 2.82Å
54S45.3Very low50.4Low30 Ų30113.9 Ų113.921%0.2153%0.53CS..Hα-helixtrans-83.2-26.4-167.4-104.70000112C50 W56 A59 Y106C50-S54 WeakPolarHBondContact O-CB 3.44Å; S54-W56 VanDerWaalsContact C-N 3.28Å; S54-W56 PolarHBondContact O-N 2.81Å; S54-A59 WeakPolarHBondContact O-CB 3.25Å; S54-Y106 WeakPolarHBondContact CA-OH 2.77Å; S54-Y106 WeakPolarHBondContact CB-OH 3.09Å; S54-Y106 PolarHBondContact O-OH 3.11Å; S54-Y106 PolarHBondContact OG-OH 3.19Å
55F44.3Very low50.6Low133 Ų133108.8 Ų108.858%0.58352%0.52SS*.Hα-helixtrans-64.7-30.3175.2-163.8-100.7000112.7
56W41.3Very low50.3Low183 Ų183105.3 Ų105.369%0.69351%0.513SS*.Hα-helixtrans-97.1-33.3-166.4-95.381.8000116.5S54S54-W56 VanDerWaalsContact C-N 3.28Å; S54-W56 PolarHBondContact O-N 2.81Å
57Y45.5Very low50.1Low207 Ų207109.3 Ų109.381%0.81253%0.529SS*.Hα-helixtrans-112-6.5-170.3-98.2-86000116.9
58R49.6Very low50.2Low200 Ų200105.3 Ų105.376%0.75553%0.528SS*.THydrogen-bonded Turntrans-142.6-21.8177-118.3171.2175.5132.3-2.8115.4
59A47.6Very low50.3Low28 Ų28102.8 Ų102.823%0.23152%0.524CS..Hα-helixtrans-83.2-31.8-179.700000113.6S54 S63S54-A59 WeakPolarHBondContact O-CB 3.25Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.46Å; A59-S63 PolarHBondContact O-OG 3.37Å
60L49.1Very low50.3Low64 Ų64100.8 Ų100.834%0.33552%0.52SS..Hα-helixtrans-66.6-49.9179.6-83.7165.4000115.1L62 S63 V64L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 2.87Å; L60-S63 PolarHBondContact O-N 2.76Å; L60-S63 PolarHBondContact O-OG 3.47Å; L60-S63 VanDerWaalsContact O-OG 3.14Å; L60-V64 VanDerWaalsContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.81Å
61P47.9Very low50.2Low88 Ų88101.4 Ų101.457%0.57153%0.53SS*.Hα-helixtrans-68.8-29.9-179.722.8-31.1000112.5G65P61-G65 WeakPolarHBondContact O-CA 3.17Å; P61-G65 PolarHBondContact O-N 3.3Å
62L51.5Low50.5Low127 Ų12797.3 Ų97.367%0.66552%0.519SS*.Hα-helixtrans-80.5-30.7174.8-69.6176.2000112.8L60 S66L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 2.87Å; L62-S66 WeakPolarHBondContact O-CB 3.14Å; L62-S66 PolarHBondContact O-N 3.11Å; L62-S66 PolarHBondContact O-OG 2.81Å
63S50.5Low50.7Low57 Ų5796.1 Ų96.140%0.39952%0.517SS..Hα-helixtrans-76.3-44.5174.270.20000112.1A59 L60 S66 M67A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.46Å; A59-S63 PolarHBondContact O-OG 3.37Å; L60-S63 PolarHBondContact O-N 2.76Å; L60-S63 PolarHBondContact O-OG 3.47Å; L60-S63 VanDerWaalsContact O-OG 3.14Å; S63-S66 WeakPolarHBondContact CA-OG 3.3Å; S63-S66 PolarHBondContact O-N 2.77Å; S63-S66 PolarHBondContact O-OG 3.2Å; S63-S66 VanDerWaalsContact O-OG 3.13Å; S63-M67 WeakPolarHBondContact O-CB 3.06Å; S63-M67 PolarHBondContact O-N 3.44Å
64V55.2Low51Low93 Ų9393.3 Ų93.356%0.56451%0.505SS*.Hα-helixtrans-64.9-41.5172.3175.10000110.2L60 M67 A68L60-V64 VanDerWaalsContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.81Å; V64-M67 PolarHBondContact O-N 3.39Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.5Å
65G61Low51.1Low30 Ų30102.1 Ų102.131%0.30954%0.536SS..Hα-helixtrans-63.8-47175.500000112.9P61 M67 A68 V69P61-G65 WeakPolarHBondContact O-CA 3.17Å; P61-G65 PolarHBondContact O-N 3.3Å; G65-M67 PolarHBondContact O-N 2.93Å; G65-A68 PolarHBondContact O-N 3.26Å; G65-V69 WeakPolarHBondContact O-CB 3.36Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.41Å
66S50.7Low51.4Low63 Ų63101.8 Ų101.844%0.44154%0.54SS..Hα-helixtrans-69-32.9177.5580000112.7L62 S63 T70L62-S66 WeakPolarHBondContact O-CB 3.14Å; L62-S66 PolarHBondContact O-N 3.11Å; L62-S66 PolarHBondContact O-OG 2.81Å; S63-S66 WeakPolarHBondContact CA-OG 3.3Å; S63-S66 PolarHBondContact O-N 2.77Å; S63-S66 PolarHBondContact O-OG 3.2Å; S63-S66 VanDerWaalsContact O-OG 3.13Å; S66-T70 WeakPolarHBondContact O-CB 3.19Å; S66-T70 PolarHBondContact O-N 3.32Å; S66-T70 PolarHBondContact O-OG1 3.43Å
67M49.8Very low51.9Low151 Ų15195.7 Ų95.774%0.74453%0.534SS*.Hα-helixtrans-74.2-33.2174.8-160.2164-171.800112S63 V64 G65 G71S63-M67 WeakPolarHBondContact O-CB 3.06Å; S63-M67 PolarHBondContact O-N 3.44Å; V64-M67 PolarHBondContact O-N 3.39Å; G65-M67 PolarHBondContact O-N 2.93Å; M67-G71 WeakPolarHBondContact O-CA 3.35Å; M67-G71 PolarHBondContact O-N 3.13Å
68A55.9Low52.1Low65 Ų6591.4 Ų91.454%0.53753%0.529SS..Hα-helixtrans-71.3-39.5171.700000112.3V64 G65 G72V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.5Å; G65-A68 PolarHBondContact O-N 3.26Å; A68-G72 PolarHBondContact O-N 3.23Å
69V58.1Low51.9Low91 Ų9192 Ų9255%0.55253%0.532SS*.Hα-helixtrans-68.3-45.2174.3169.70000110.4G65 G72 L73G65-V69 WeakPolarHBondContact O-CB 3.36Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.41Å; V69-G72 PolarHBondContact O-N 2.86Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CD1 3.29Å; V69-L73 WeakPolarHBondContact O-CD1 3.28Å; V69-L73 PolarHBondContact O-N 3.01Å
70T52.5Low52.1Low74 Ų7499.7 Ų99.745%0.45456%0.56SS.*Hα-helixtrans-65.1-42.9176-55.90000110.2S66 G72 L73 I74S66-T70 WeakPolarHBondContact O-CB 3.19Å; S66-T70 PolarHBondContact O-N 3.32Å; S66-T70 PolarHBondContact O-OG1 3.43Å; T70-G72 PolarHBondContact O-N 3.44Å; T70-L73 PolarHBondContact O-N 2.79Å; T70-I74 HydrophobicContact CG2-CD1 3.8Å; T70-I74 HydrophobicContact CG2-CG1 4.48Å; T70-I74 WeakPolarHBondContact O-CB 3.29Å; T70-I74 VanDerWaalsContact O-CD1 3.3Å; T70-I74 WeakPolarHBondContact O-CD1 3.27Å; T70-I74 WeakPolarHBondContact O-CG1 3.24Å; T70-I74 PolarHBondContact O-N 3.2Å
71G52Low51.7Low36 Ų36101.8 Ų101.837%0.37158%0.58SS.*Hα-helixtrans-60.2-42.4173.200000112.7M67 I74 Y75M67-G71 WeakPolarHBondContact O-CA 3.35Å; M67-G71 PolarHBondContact O-N 3.13Å; G71-I74 PolarHBondContact O-N 2.9Å; G71-Y75 WeakPolarHBondContact O-CB 3.23Å; G71-Y75 PolarHBondContact O-N 2.87Å
72G57.3Low51.5Low29 Ų29101.9 Ų101.930%0.29958%0.582SS.*Hα-helixtrans-71.1-33.9177.200000114.1A68 V69 T70 Y75 N76A68-G72 PolarHBondContact O-N 3.23Å; V69-G72 PolarHBondContact O-N 2.86Å; T70-G72 PolarHBondContact O-N 3.44Å; G72-Y75 PolarHBondContact O-N 3.49Å; G72-N76 WeakPolarHBondContact O-CB 3.46Å; G72-N76 PolarHBondContact O-N 2.82Å; G72-N76 PolarHBondContact O-ND2 2.87Å; G72-N76 VanDerWaalsContact O-ND2 3.11Å
73L53.2Low51.4Low123 Ų123101.2 Ų101.264%0.64460%0.596SS**Hα-helixtrans-70.6-35171.9-99.872.5000111.6V69 T70V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CD1 3.29Å; V69-L73 WeakPolarHBondContact O-CD1 3.28Å; V69-L73 PolarHBondContact O-N 3.01Å; T70-L73 PolarHBondContact O-N 2.79Å
74I51.7Low51.6Low87 Ų87108.9 Ų108.945%0.44662%0.616SS.*Hα-helixtrans-69.3-40173-66.6164.7000110.3T70 G71 N76 G77 L91T70-I74 HydrophobicContact CG2-CD1 3.8Å; T70-I74 HydrophobicContact CG2-CG1 4.48Å; T70-I74 WeakPolarHBondContact O-CB 3.29Å; T70-I74 VanDerWaalsContact O-CD1 3.3Å; T70-I74 WeakPolarHBondContact O-CD1 3.27Å; T70-I74 WeakPolarHBondContact O-CG1 3.24Å; T70-I74 PolarHBondContact O-N 3.2Å; G71-I74 PolarHBondContact O-N 2.9Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 2.69Å; I74-G77 PolarHBondContact O-N 3.13Å; I74-L91 HydrophobicContact CD1-CD2 3.61Å; I74-L91 HydrophobicContact CG1-CD2 3.57Å; I74-L91 HydrophobicContact CG2-CD1 4.35Å
75Y48.7Very low51.6Low216 Ų216112.4 Ų112.485%0.84762%0.624SS**Hα-helixtrans-68.8-29.3178.6-144.7-93.2000112.9G71 G72 G77G71-Y75 WeakPolarHBondContact O-CB 3.23Å; G71-Y75 PolarHBondContact O-N 2.87Å; G72-Y75 PolarHBondContact O-N 3.49Å; Y75-G77 VanDerWaalsContact C-N 3.26Å; Y75-G77 PolarHBondContact O-N 3.36Å
76N51.3Low51.5Low125 Ų125112.8 Ų112.867%0.66863%0.628SS**THydrogen-bonded Turntrans-77-2.3177.3-96.4-75.3000114.6G72 I74 V78G72-N76 WeakPolarHBondContact O-CB 3.46Å; G72-N76 PolarHBondContact O-N 2.82Å; G72-N76 PolarHBondContact O-ND2 2.87Å; G72-N76 VanDerWaalsContact O-ND2 3.11Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 2.69Å; N76-V78 HydrophobicContact CB-CG2 4.25Å; N76-V78 PolarHBondContact O-N 2.88Å
77G50.8Low51.8Low56 Ų56114.1 Ų114.158%0.57764%0.635SS**THydrogen-bonded Turntrans61.723.5164.300000116.2I74 Y75 W79I74-G77 PolarHBondContact O-N 3.13Å; Y75-G77 VanDerWaalsContact C-N 3.26Å; Y75-G77 PolarHBondContact O-N 3.36Å; G77-W79 PolarHBondContact O-N 3.47Å
78V50.5Low51.9Low117 Ų117115 Ų11571%0.70964%0.635SS**  trans-71.2-12.8-169.71750000113.8N76N76-V78 HydrophobicContact CB-CG2 4.25Å; N76-V78 PolarHBondContact O-N 2.88Å
79W44.2Very low52.3Low212 Ų212114.8 Ų114.880%0.80363%0.628SS**  trans-113.777.5176.5-93.145000112.6G77 K90G77-W79 PolarHBondContact O-N 3.47Å; W79-K90 HydrophobicContact CE3-CD 4.36Å; W79-K90 HydrophobicContact CZ3-CD 4.43Å
80K52.8Low52.2Low190 Ų190116.7 Ų116.783%0.82663%0.629SS**  trans-66.9142.4155.2-165.8-177.817895.60108.8
81S41Very low52.6Low107 Ų107116.7 Ų116.775%0.74863%0.626SS**  trans103.180.8163.1-61.80000118.2
82S42.3Very low53.2Low90 Ų90117.5 Ų117.563%0.62963%0.629SS**  -171.1106.1116.9172.10000109.6R84S82-R84 PolarHBondContact O-N 3.49Å
83A49.5Very low53.6Low114 Ų114120 Ų12094%0.94264%0.638SS**THydrogen-bonded Turntrans-70.313.2-173.100000115.4
84R54.9Low54Low217 Ų217117 Ų11782%0.81963%0.631SS**THydrogen-bonded Turntrans-108.3-29.1-173.1-160.870.4-151.4170.52.4115.4S82S82-R84 PolarHBondContact O-N 3.49Å
85F55.3Low54.4Low168 Ų168114.8 Ų114.874%0.73763%0.629SS**THydrogen-bonded Turntrans-109.3-1-179-82.1-83.8000114P89F85-P89 HydrophobicContact CB-CG 4.24Å; F85-P89 WeakPolarHBondContact O-CD 3.15Å; F85-P89 WeakPolarHBondContact O-CG 3.46Å
86G58.8Low55.6Low38 Ų38110.1 Ų110.139%0.39262%0.619SS.*  trans67.7161.3-178.600000113F88 P89G86-F88 PolarHBondContact O-N 2.83Å; G86-P89 WeakPolarHBondContact O-CD 3.14Å
87P56.2Low56.3Low91 Ų91109.4 Ų109.459%0.59161%0.614SS**Hα-helixtrans-68.2-18.8179.225.1-32000113.2L91P87-L91 HydrophobicContact CB-CD1 4.4Å; P87-L91 WeakPolarHBondContact O-CB 3.36Å; P87-L91 WeakPolarHBondContact O-CD1 3.48Å; P87-L91 WeakPolarHBondContact O-CG 3.16Å; P87-L91 PolarHBondContact O-N 3.35Å
88F53.4Low56.5Low169 Ų169109 Ų10974%0.74161%0.611SS**Hα-helixtrans-68.5-51.3-172-83.3-87.6000116.5G86 K90 L91 A92G86-F88 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.97Å; F88-L91 PolarHBondContact O-N 3.39Å; F88-A92 WeakPolarHBondContact O-CB 3.31Å; F88-A92 PolarHBondContact O-N 2.87Å
89P63.7Low57Low61 Ų61109.7 Ų109.740%0.39660%0.604SS.*Hα-helixtrans-67.1-32.2-177.622.9-32.5000112.5F85 G86 A92 V93F85-P89 HydrophobicContact CB-CG 4.24Å; F85-P89 WeakPolarHBondContact O-CD 3.15Å; F85-P89 WeakPolarHBondContact O-CG 3.46Å; G86-P89 WeakPolarHBondContact O-CD 3.14Å; P89-A92 PolarHBondContact O-N 3.45Å; P89-V93 WeakPolarHBondContact O-CB 3.31Å; P89-V93 VanDerWaalsContact O-CG2 3.27Å; P89-V93 WeakPolarHBondContact O-CG2 3.39Å; P89-V93 PolarHBondContact O-N 2.97Å
90K56.5Low58Low130 Ų130102.3 Ų102.357%0.56559%0.588SS**Hα-helixtrans-72.1-35.3177.8-165.6157.9175.270.30112.2W79 F88 A94W79-K90 HydrophobicContact CE3-CD 4.36Å; W79-K90 HydrophobicContact CZ3-CD 4.43Å; F88-K90 VanDerWaalsContact C-N 3.3Å; F88-K90 PolarHBondContact O-N 2.97Å; K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.17Å
91L60.1Low58.6Low75 Ų7598.1 Ų98.139%0.39358%0.578SS.*Hα-helixtrans-71.2-40172.4-70.6173.9000112.3I74 P87 F88 A94 G95I74-L91 HydrophobicContact CD1-CD2 3.61Å; I74-L91 HydrophobicContact CG1-CD2 3.57Å; I74-L91 HydrophobicContact CG2-CD1 4.35Å; P87-L91 HydrophobicContact CB-CD1 4.4Å; P87-L91 WeakPolarHBondContact O-CB 3.36Å; P87-L91 WeakPolarHBondContact O-CD1 3.48Å; P87-L91 WeakPolarHBondContact O-CG 3.16Å; P87-L91 PolarHBondContact O-N 3.35Å; F88-L91 PolarHBondContact O-N 3.39Å; L91-A94 PolarHBondContact O-N 3.35Å; L91-G95 PolarHBondContact O-N 3.3Å
92A66.1Low59.2Low52 Ų5295.1 Ų95.143%0.4356%0.564SS.*Hα-helixtrans-63.4-44.7176.700000111.6F88 P89 G95 L96F88-A92 WeakPolarHBondContact O-CB 3.31Å; F88-A92 PolarHBondContact O-N 2.87Å; P89-A92 PolarHBondContact O-N 3.45Å; A92-G95 PolarHBondContact O-N 3.4Å; A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.28Å; A92-L96 WeakPolarHBondContact O-CD1 2.94Å; A92-L96 WeakPolarHBondContact O-CG 3.3Å; A92-L96 PolarHBondContact O-N 3.06Å
93V64.9Low59.9Low83 Ų8395.5 Ų95.550%0.50355%0.554SS.*Hα-helixtrans-68.7-42.1177.91730000111.5P89 G95 L96 L97P89-V93 WeakPolarHBondContact O-CB 3.31Å; P89-V93 VanDerWaalsContact O-CG2 3.27Å; P89-V93 WeakPolarHBondContact O-CG2 3.39Å; P89-V93 PolarHBondContact O-N 2.97Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 3.28Å; V93-L96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.97Å
94A61.1Low60.3Low59 Ų5993.1 Ų93.149%0.48854%0.535SS..Hα-helixtrans-63.6-39.3174.800000112K90 L91 G98K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 3.35Å; A94-G98 PolarHBondContact O-N 2.85Å
95G61.2Low60.2Low40 Ų4086.6 Ų86.641%0.41252%0.522SS..Hα-helixtrans-67.6-42.7175.300000113L91 A92 V93 G98 F99L91-G95 PolarHBondContact O-N 3.3Å; A92-G95 PolarHBondContact O-N 3.4Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 3.28Å; G95-G98 PolarHBondContact O-N 3Å; G95-F99 WeakPolarHBondContact O-CB 3.1Å; G95-F99 PolarHBondContact O-N 2.96Å
96L72.5Confident60.1Low119 Ų11981.9 Ų81.962%0.62350%0.5SS*.Hα-helixtrans-66.1-42.5176-84.5158.3000112A92 V93 F99 A100A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.28Å; A92-L96 WeakPolarHBondContact O-CD1 2.94Å; A92-L96 WeakPolarHBondContact O-CG 3.3Å; A92-L96 PolarHBondContact O-N 3.06Å; V93-L96 PolarHBondContact O-N 3.42Å; L96-F99 PolarHBondContact O-N 3.34Å; L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.39Å
97L65.6Low59.8Low109 Ų10984 Ų8457%0.57150%0.502SS*.Hα-helixtrans-67-42.9175.7-74.4169.1000111.3V93 F99 A100 V101V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.97Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.25Å; L97-A100 PolarHBondContact O-N 2.91Å; L97-V101 WeakPolarHBondContact O-CB 3.12Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.1Å
98G55.5Low59.9Low49 Ų4981.3 Ų81.351%0.50549%0.49SS..Hα-helixtrans-62-39.8173.700000112.6A94 G95 G102A94-G98 PolarHBondContact O-N 2.85Å; G95-G98 PolarHBondContact O-N 3Å; G98-G102 PolarHBondContact O-N 3.14Å
99F60.9Low60Low131 Ų13177.5 Ų77.558%0.57548%0.481SS*.Hα-helixtrans-69.8-40.5176.6-174.9-99.4000112.3G95 L96 L97 G102 K103G95-F99 WeakPolarHBondContact O-CB 3.1Å; G95-F99 PolarHBondContact O-N 2.96Å; L96-F99 PolarHBondContact O-N 3.34Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3.25Å; F99-G102 PolarHBondContact O-N 2.84Å; F99-K103 HydrophobicContact CD1-CG 4.04Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE1-CG 3.72Å; F99-K103 HydrophobicContact CE2-CG 4.29Å; F99-K103 HydrophobicContact CG-CG 4.46Å; F99-K103 HydrophobicContact CZ-CD 4.23Å; F99-K103 HydrophobicContact CZ-CG 3.88Å; F99-K103 VanDerWaalsContact O-CB 3.24Å; F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.43Å; F99-K103 PolarHBondContact O-N 2.88Å
100A65.2Low59.4Low56 Ų5675.8 Ų75.846%0.46347%0.47SS..Hα-helixtrans-66-44.6177.100000111.5L96 L97 K103 A104L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.39Å; L97-A100 PolarHBondContact O-N 2.91Å; A100-K103 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 3.33Å; A100-A104 PolarHBondContact O-N 3.14Å
101V65.9Low59.2Low103 Ų10377.9 Ų77.962%0.62447%0.474SS*.Hα-helixtrans-66.4-40.5175.3173.70000110.8L97 A104 S105L97-V101 WeakPolarHBondContact O-CB 3.12Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.1Å; V101-A104 PolarHBondContact O-N 2.88Å; V101-S105 VanDerWaalsContact O-CB 3.27Å; V101-S105 WeakPolarHBondContact O-CB 3.11Å; V101-S105 PolarHBondContact O-N 2.73Å
102G53.8Low58.9Low43 Ų4377.8 Ų77.844%0.44348%0.48SS..Hα-helixtrans-63.1-44174.900000112.8G98 F99 Y106G98-G102 PolarHBondContact O-N 3.14Å; F99-G102 PolarHBondContact O-N 2.84Å; G102-Y106 WeakPolarHBondContact O-CB 3.11Å; G102-Y106 PolarHBondContact O-N 3.14Å
103K57.9Low58.2Low99 Ų9981 Ų8143%0.4348%0.484SS..Hα-helixtrans-66.4-40.9175.4-79.8-73.2-173.9177.70112F99 A100 Y106 I107F99-K103 HydrophobicContact CD1-CG 4.04Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE1-CG 3.72Å; F99-K103 HydrophobicContact CE2-CG 4.29Å; F99-K103 HydrophobicContact CG-CG 4.46Å; F99-K103 HydrophobicContact CZ-CD 4.23Å; F99-K103 HydrophobicContact CZ-CG 3.88Å; F99-K103 VanDerWaalsContact O-CB 3.24Å; F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.43Å; F99-K103 PolarHBondContact O-N 2.88Å; A100-K103 PolarHBondContact O-N 2.81Å; K103-Y106 PolarHBondContact O-N 2.05Å; K103-I107 WeakPolarHBondContact O-CD1 3.08Å; K103-I107 VanDerWaalsContact O-CG1 3.28Å; K103-I107 WeakPolarHBondContact O-CG1 3.48Å; K103-I107 PolarHBondContact O-N 3.03Å
104A57Low57.8Low64 Ų6479.3 Ų79.353%0.52947%0.47SS..Hα-helixtrans-67.5-42.2178.500000112.2A100 V101 Y106 I107 G108A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 3.33Å; A100-A104 PolarHBondContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 2.88Å; A104-Y106 PolarHBondContact O-N 2.75Å; A104-I107 PolarHBondContact O-N 3.36Å; A104-G108 PolarHBondContact O-N 3.33Å
105S52.6Low57.5Low80 Ų8080.8 Ų80.856%0.55947%0.467SS*.Hα-helixtrans-60.7-31175.6-168.80000112V101 T109V101-S105 VanDerWaalsContact O-CB 3.27Å; V101-S105 WeakPolarHBondContact O-CB 3.11Å; V101-S105 PolarHBondContact O-N 2.73Å; S105-T109 PolarHBondContact O-N 3.01Å; S105-T109 PolarHBondContact O-OG1 3.48Å
106Y52.3Low57.1Low68 Ų6884.2 Ų84.227%0.26747%0.473SS..Hα-helixtrans-80.9-46.3-179.6-159.7-107.1000114.2S54 G102 K103 A104 G108 T109 C110S54-Y106 WeakPolarHBondContact CA-OH 2.77Å; S54-Y106 WeakPolarHBondContact CB-OH 3.09Å; S54-Y106 PolarHBondContact O-OH 3.11Å; S54-Y106 PolarHBondContact OG-OH 3.19Å; G102-Y106 WeakPolarHBondContact O-CB 3.11Å; G102-Y106 PolarHBondContact O-N 3.14Å; K103-Y106 PolarHBondContact O-N 2.05Å; A104-Y106 PolarHBondContact O-N 2.75Å; Y106-G108 PolarHBondContact O-N 3.16Å; Y106-T109 PolarHBondContact O-N 2.96Å; Y106-C110 PolarHBondContact O-N 3.29Å
107I54.2Low56Low84 Ų8486 Ų8643%0.43148%0.482SS..Hα-helixtrans-63.5-35.4174.9-64.2163.5000109.7W47 K103 A104 R111W47-I107 HydrophobicContact CH2-CG2 4.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.08Å; K103-I107 VanDerWaalsContact O-CG1 3.28Å; K103-I107 WeakPolarHBondContact O-CG1 3.48Å; K103-I107 PolarHBondContact O-N 3.03Å; A104-I107 PolarHBondContact O-N 3.36Å; I107-R111 VanDerWaalsContact O-CB 3.31Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 3.21Å
108G56.5Low55.3Low34 Ų3482.2 Ų82.235%0.35147%0.469SS..Hα-helixtrans-62.6-44.8173.800000113.4A104 Y106 R111 S112A104-G108 PolarHBondContact O-N 3.33Å; Y106-G108 PolarHBondContact O-N 3.16Å; G108-R111 PolarHBondContact O-N 3.35Å; G108-S112 PolarHBondContact O-N 3.2Å; G108-S112 PolarHBondContact O-OG 3.05Å; G108-S112 VanDerWaalsContact O-OG 3.13Å
109T55.8Low54.9Low88 Ų8884.4 Ų84.454%0.5447%0.468SS..Hα-helixtrans-67.8-39.1179.2-570000112.2S105 Y106 S112 K113S105-T109 PolarHBondContact O-N 3.01Å; S105-T109 PolarHBondContact O-OG1 3.48Å; Y106-T109 PolarHBondContact O-N 2.96Å; T109-S112 PolarHBondContact O-N 3.38Å; T109-K113 PolarHBondContact O-N 3.26Å
110C52.6Low54.1Low25 Ų2586.3 Ų86.317%0.16948%0.476CS..Hα-helixtrans-62.5-45.6172.6-173.80000110.3C50 Y106 S112 K113 F114C50-C110 WeakPolarHBondContact CB-SG 3.31Å; C50-C110 WeakPolarHBondContact SG-CB 3.35Å; C50-C110 CovalentContact SG-SG 2.05Å; C50-C110 PolarHBondContact SG-SG 2.89Å; Y106-C110 PolarHBondContact O-N 3.29Å; C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.99Å; C110-K113 PolarHBondContact O-N 2.94Å; C110-F114 WeakPolarHBondContact O-CD2 3.43Å; C110-F114 PolarHBondContact O-N 3.46Å; C110-F114 VanDerWaalsContact O-N 3.14Å
111R51.9Low53.3Low174 Ų17491.7 Ų91.766%0.65750%0.497SS*.Hα-helixtrans-60.8-35.3178.2-161178.4178.5176.2-1.9113.2I107 G108 F114 Q115I107-R111 VanDerWaalsContact O-CB 3.31Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 3.21Å; G108-R111 PolarHBondContact O-N 3.35Å; R111-F114 WeakPolarHBondContact O-CB 3.28Å; R111-F114 PolarHBondContact O-N 2.82Å; R111-Q115 VanDerWaalsContact O-CG 3.31Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.81Å
112S53.8Low52.5Low73 Ų7389.1 Ų89.151%0.5149%0.492SS..Hα-helixtrans-68.3-34.9177.1-61.20000113.2G108 T109 C110 Q115 E116G108-S112 PolarHBondContact O-N 3.2Å; G108-S112 PolarHBondContact O-OG 3.05Å; G108-S112 VanDerWaalsContact O-OG 3.13Å; T109-S112 PolarHBondContact O-N 3.38Å; C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.99Å; S112-Q115 PolarHBondContact O-N 3.42Å; S112-E116 WeakPolarHBondContact O-CB 3.46Å; S112-E116 PolarHBondContact O-N 3.02Å
113K50.6Low52.4Low119 Ų11993 Ų9352%0.51751%0.509SS..Hα-helixtrans-72.1-32.2174.4-71.8-72.3169.6-170.50112.6T109 C110 E116 L117T109-K113 PolarHBondContact O-N 3.26Å; C110-K113 PolarHBondContact O-N 2.94Å; K113-E116 IonicContact NZ-OE1 3.75Å; K113-E116 PolarHBondContact NZ-OE1 3.26Å; K113-E116 PolarHBondContact O-N 3.29Å; K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 WeakPolarHBondContact O-CG 3.33Å; K113-L117 PolarHBondContact O-N 3.09Å
114F56.6Low51.5Low48 Ų4891.9 Ų91.921%0.21153%0.526CS..Hα-helixtrans-66.9-37.2168.8-92.9-89.8000113.7V43 V46 C110 R111 E116 G118V43-F114 HydrophobicContact CG2-CE1 4.5Å; V46-F114 VanDerWaalsContact C-CZ 3.5Å; V46-F114 HydrophobicContact CB-CE1 3.44Å; V46-F114 VanDerWaalsContact CB-CE1 3.44Å; V46-F114 HydrophobicContact CB-CE2 4.15Å; V46-F114 HydrophobicContact CB-CZ 3.18Å; V46-F114 HydrophobicContact CG1-CD1 4.39Å; V46-F114 HydrophobicContact CG1-CD2 4.4Å; V46-F114 HydrophobicContact CG1-CE1 3.47Å; V46-F114 VanDerWaalsContact CG1-CE1 3.47Å; V46-F114 HydrophobicContact CG1-CE2 3.49Å; V46-F114 VanDerWaalsContact CG1-CE2 3.49Å; V46-F114 HydrophobicContact CG1-CZ 3Å; V46-F114 HydrophobicContact CG2-CE1 4.32Å; V46-F114 HydrophobicContact CG2-CZ 4.44Å; C110-F114 WeakPolarHBondContact O-CD2 3.43Å; C110-F114 PolarHBondContact O-N 3.46Å; C110-F114 VanDerWaalsContact O-N 3.14Å; R111-F114 WeakPolarHBondContact O-CB 3.28Å; R111-F114 PolarHBondContact O-N 2.82Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-G118 WeakPolarHBondContact O-CA 3.39Å; F114-G118 PolarHBondContact O-N 3.31Å
115Q54.6Low51.1Low90 Ų9094.9 Ų94.942%0.42154%0.543SS..Hα-helixtrans-70-35.4174.2-69.6-178.828.100111.5R111 S112 L117 I119R111-Q115 VanDerWaalsContact O-CG 3.31Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.81Å; S112-Q115 PolarHBondContact O-N 3.42Å; Q115-L117 VanDerWaalsContact C-N 3.34Å; Q115-I119 HydrophobicContact CB-CB 4.32Å; Q115-I119 HydrophobicContact CB-CD1 4.5Å; Q115-I119 HydrophobicContact CB-CG1 4.45Å; Q115-I119 HydrophobicContact CG-CD1 3.85Å; Q115-I119 HydrophobicContact CG-CG1 4.28Å; Q115-I119 CarbonylContact O-C 3.58Å; Q115-I119 WeakPolarHBondContact O-CA 3.5Å; Q115-I119 WeakPolarHBondContact O-CB 2.9Å; Q115-I119 PolarHBondContact O-N 2.94Å
116E53.9Low50.6Low113 Ų11393.1 Ų93.153%0.52854%0.537SS..Hα-helixtrans-68.6-31.2176.1-168.9166.682.100112.7S112 K113 F114S112-E116 WeakPolarHBondContact O-CB 3.46Å; S112-E116 PolarHBondContact O-N 3.02Å; K113-E116 IonicContact NZ-OE1 3.75Å; K113-E116 PolarHBondContact NZ-OE1 3.26Å; K113-E116 PolarHBondContact O-N 3.29Å; F114-E116 VanDerWaalsContact C-N 3.34Å
117L48.7Very low50.1Low156 Ų15696.3 Ų96.382%0.81757%0.566SS**Hα-helixtrans-98.1-16.7179.2-65.4172.6000114.7K113 Q115K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 WeakPolarHBondContact O-CG 3.33Å; K113-L117 PolarHBondContact O-N 3.09Å; Q115-L117 VanDerWaalsContact C-N 3.34Å
118G50.3Low49.6Very low30 Ų30103.1 Ų103.131%0.30959%0.587SS.*Hα-helixtrans-138.60.7-173.400000116.5F114F114-G118 WeakPolarHBondContact O-CA 3.39Å; F114-G118 PolarHBondContact O-N 3.31Å
119I48.7Very low49.3Very low94 Ų94107.4 Ų107.448%0.48261%0.612SS.*SBendtrans-122.115.1170.1-54.6-168.1000111Q115 D121Q115-I119 HydrophobicContact CB-CB 4.32Å; Q115-I119 HydrophobicContact CB-CD1 4.5Å; Q115-I119 HydrophobicContact CB-CG1 4.45Å; Q115-I119 HydrophobicContact CG-CD1 3.85Å; Q115-I119 HydrophobicContact CG-CG1 4.28Å; Q115-I119 CarbonylContact O-C 3.58Å; Q115-I119 WeakPolarHBondContact O-CA 3.5Å; Q115-I119 WeakPolarHBondContact O-CB 2.9Å; Q115-I119 PolarHBondContact O-N 2.94Å; I119-D121 PolarHBondContact O-N 2.83Å
120K42.1Very low48.9Very low172 Ų172114.8 Ų114.875%0.74863%0.629SS**SBendtrans-92.629.1166.2-138.3174174.8172.30112.7
121D50Low48.4Very low168 Ų168122 Ų12290%0.89866%0.658SS**SBendtrans-146.777.8155.1-80.7-57.2000109.4I119I119-D121 PolarHBondContact O-N 2.83Å
122G47.4Very low48.1Very low49 Ų49116.6 Ų116.651%0.50566%0.656SS.*SBendtrans116.5113.4166.700000113.2
123P53.4Low47.8Very low125 Ų125119.5 Ų119.581%0.81267%0.673SS**  cis-135.999.448.930.9-9.3000112S125P123-S125 PolarHBondContact O-N 3.45Å
124G38.3Very low47.4Very low76 Ų76120 Ų12078%0.78469%0.69SS**  trans-85.2104.2167.500000109.9G126G124-G126 PolarHBondContact O-N 3.21Å
125S49.6Very low46.7Very low127 Ų127120.1 Ų120.189%0.88871%0.705SS**  trans-41.6111.8165.552.40000112.7P123P123-S125 PolarHBondContact O-N 3.45Å
126G40.9Very low46.3Very low43 Ų43122.8 Ų122.844%0.44373%0.73SS.*  trans-149149.9169.400000110G124 W128G124-G126 PolarHBondContact O-N 3.21Å; G126-W128 PolarHBondContact O-N 2.94Å
127P41.5Very low45.9Very low135 Ų135120.7 Ų120.788%0.87774%0.739SS**THydrogen-bonded Turntrans-72.626.1-175.327.7-30.2000114.2
128W44.9Very low45.6Very low227 Ų227121.6 Ų121.686%0.8674%0.739SS**THydrogen-bonded Turntrans-108.616.4-170.3-8159.9000114.2G126 R130G126-W128 PolarHBondContact O-N 2.94Å; W128-R130 PolarHBondContact O-N 3.31Å
129S50.1Low45.6Very low124 Ų124130.3 Ų130.387%0.86776%0.762SS**  trans-72.129.5173.4-57.40000114.6
130R47.4Very low45.4Very low242 Ų242134.1 Ų134.191%0.91378%0.778SS**SBendtrans-135.547.3173.8-150-160.4-76.7-130.25.4112.5W128W128-R130 PolarHBondContact O-N 3.31Å
131K42.5Very low45.5Very low178 Ų178131.5 Ų131.577%0.77478%0.78SS**  trans-162.884159.1-138.7170.3179.4-171.40111.8
132G44.5Very low45.2Very low60 Ų60131.5 Ų131.562%0.61977%0.774SS**  trans-65.1148.315400000109C134G132-C134 PolarHBondContact O-N 3.02Å; G132-C134 VanDerWaalsContact O-N 3.1Å
133P46.8Very low45.1Very low133 Ų133135.2 Ų135.286%0.86478%0.778SS**SBendtrans-73.1-0.7-171.2-16.731.2000115.8
134C43.6Very low44.9Very low129 Ų129138 Ų13887%0.87278%0.78SS**  trans-117.475.4-175.1-620000111G132G132-C134 PolarHBondContact O-N 3.02Å; G132-C134 VanDerWaalsContact O-N 3.1Å
135G40.8Very low45.1Very low51 Ų51137.4 Ų137.453%0.52676%0.763SS.*  trans-96.5150160.500000110.2G137G135-G137 PolarHBondContact O-N 2.84Å
136P46.3Very low45.1Very low147 Ų147139.1 Ų139.196%0.95576%0.757SS**THydrogen-bonded Turntrans-70.7102.2-178.329.3-31.7000109.1
137G46.7Very low45.6Very low69 Ų69144.5 Ų144.571%0.71177%0.771SS**THydrogen-bonded Turntrans150.7-0.7173.600000118.7G135G135-G137 PolarHBondContact O-N 2.84Å
138H41.3Very low45.9Very low174 Ų174143.1 Ų143.181%0.80676%0.763SS**  trans-108.5101.4177.8-92.9-80.9000113H140H138-H140 PolarHBondContact O-N 3.18Å
139R51.5Low46.2Very low214 Ų214141 Ų14181%0.80876%0.76SS**  trans-7488.6162-64.2-170-164-166.25.6109.7
140H42.7Very low45.9Very low173 Ų173143.9 Ų143.980%0.80176%0.757SS**  trans-174.6108.1146.3-115.973000110H138H138-H140 PolarHBondContact O-N 3.18Å
141C45.1Very low45.5Very low118 Ų118140.7 Ų140.780%0.79775%0.75SS**  trans-105.6111.5161.1-72.10000107.1H143C141-H143 PolarHBondContact O-N 3.42Å
142H44.6Very low45.4Very low167 Ų167137.9 Ų137.977%0.77375%0.749SS**  trans-8261.8170.5-160-74.6000109.2
143H44.9Very low45.2Very low127 Ų127143.8 Ų143.859%0.58876%0.761SS**  trans-124.4107.8168.8-94.2-71.1000106.6W29 C141 C145W29-H143 AromaticContact CH2-ND1 3.81Å; W29-H143 AromaticContact CZ2-CE1 3.54Å; W29-H143 AromaticContact CZ2-ND1 3.16Å; W29-H143 WeakPolarHBondContact CZ2-ND1 3.16Å; C141-H143 PolarHBondContact O-N 3.42Å; H143-C145 VanDerWaalsContact C-N 3.27Å; H143-C145 PolarHBondContact O-N 3.31Å
144E48.3Very low44.6Very low184 Ų184142 Ų14286%0.8676%0.758SS**  trans-65.189.6173.6-68.1-172.695.600109
145C42Very low44.2Very low64 Ų64140.4 Ų140.443%0.43275%0.753SS.*  trans-102.3111.9170.9-143.30000107H143 E147 C148H143-C145 VanDerWaalsContact C-N 3.27Å; H143-C145 PolarHBondContact O-N 3.31Å; C145-E147 PolarHBondContact O-N 3.25Å; C145-C148 PolarHBondContact O-N 3.02Å
146E51.5Low44.2Very low162 Ų162143.6 Ų143.676%0.75777%0.765SS**G310 helixtrans-52-25.7178.1-92.1-131.995.900112.8C148 K149E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.37Å; E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 PolarHBondContact O-N 3Å
147E50.7Low43.7Very low156 Ų156141.2 Ų141.273%0.72976%0.758SS**G310 helixtrans-69.2-23.7-179.7-62.9-68.592.100113.7C145C145-E147 PolarHBondContact O-N 3.25Å
148C48.6Very low43.1Very low106 Ų106146.5 Ų146.572%0.71676%0.764SS**G310 helixtrans-82.9-17.5176.3-77.60000113.1C145 E146 K150C145-C148 PolarHBondContact O-N 3.02Å; E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.37Å; C148-K150 PolarHBondContact O-N 3.02Å
149K49.9Very low42.9Very low182 Ų182147.8 Ų147.879%0.79177%0.77SS**THydrogen-bonded Turntrans-72.6-19.7178.7-167.1171.7179.3178.90112.4E146E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 PolarHBondContact O-N 3Å
150K44.4Very low42Very low186 Ų186145.7 Ų145.781%0.80980%0.799SS**THydrogen-bonded Turntrans-96.32.3-170.5-131.1172.3-173.4171.70115.5C148C148-K150 PolarHBondContact O-N 3.02Å
151K39.1Very low41.9Very low175 Ų175144.3 Ų144.376%0.76180%0.798SS**  trans-110.2108.1178.2-148161.2-175.9-174.40110.7Q153K151-Q153 PolarHBondContact O-N 3.4Å
152P40.7Very low41.7Very low118 Ų118145.7 Ų145.777%0.76680%0.798SS**  trans-62.1128.7170.824.8-30.4000108.9A154P152-A154 PolarHBondContact O-N 3.43Å
153Q39.3Very low41.6Very low185 Ų185144.5 Ų144.586%0.86480%0.8SS**  trans-60.3127.7175.7-65.3-164.6-9.500110K151K151-Q153 PolarHBondContact O-N 3.4Å
154A35.5Very low41.4Very low96 Ų96145.5 Ų145.579%0.79381%0.812SS**  trans-123.1105.516700000109.4P152P152-A154 PolarHBondContact O-N 3.43Å
155A34.2Very low41Very low94 Ų94143.1 Ų143.178%0.77781%0.809SS**  trans55.7130.715100000121.6
156P40.3Very low40.9Very low118 Ų118148.4 Ų148.477%0.76683%0.834SS**  trans-83.9128.1160.432.1-26.3000110.7
157A36.6Very low40.1Very low98 Ų98147.4 Ų147.481%0.8184%0.84SS**  trans-102.797.916400000109
158E34.9Very low39.3Very low180 Ų180146.8 Ų146.884%0.84185%0.849SS**  trans-0.6129.9135.5-163.9150.372.800116.9
159Q36.8Very low38.5Very low201 Ų201150.2 Ų150.294%0.93986%0.86SS**  trans-135.9105.4156.1-74.3-171.3-19.900109.1
160A31.1Very low37.5Very low169 Ų169147.3 Ų147.3100%1.39787%0.866SS**  trans-106.30149.500000107.4

Retrieved 160 of 160 residues in 130.2 ms (Link to these results)